5-bromanyl-N-[(4-iodophenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-iodophenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-iodophenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(4-iodoanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(4-iodophenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-iodophenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C22H18BrIN2O2S MolecularWeight: 581.26399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=C(C=C3)I

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=C(C=C3)I

InChI

InChI=1S/C22H18BrIN2O2S/c23-16-6-11-20(28-13-12-15-4-2-1-3-5-15)19(14-16)21(27)26-22(29)25-18-9-7-17(24)8-10-18/h1-11,14H,12-13H2,(H2,25,26,27,29)